
 SCHEMBL9998948

 67 71  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SCHEMBL9998948

>  <PubChem CID>
54769309

>  <Formula>
C25H31F3N6O2

>  <Molecular Weight>
504.558000

>  <IUPAC Name>
N-[1-[4-(pyrrolidine-1-carbonyl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
C1CCN(C1)C(=O)C2CCC(CC2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <Isomeric SMILES>
C1CCN(C1)C(=O)C2CCC(CC2)N3CC(C3)NC(=O)CNC4=NC=NC5=C4C=C(C=C5)C(F)(F)F

>  <InChI Std. ID>
InChI=1S/C25H31F3N6O2/c26-25(27,28)17-5-8-21-20(11-17)23(31-15-30-21)29-12-22(35)32-18-13-34(14-18)19-6-3-16(4-7-19)24(36)33-9-1-2-10-33/h5,8,11,15-16,18-19H,1-4,6-7,9-10,12-14H2,(H,32,35)(H,29,30,31)

>  <InChI Key>
NUJRHPJAXPKITR-UHFFFAOYSA-N

